ONE-DIMENSIONAL TREATMENT OF HYDROGEN BOND PART 2
نویسندگان: ثبت نشده
چکیده مقاله:
The potential function of Lippincott and Schroeder for linear hydrogen bond has been re-examined and extended to nonlinear hydrogen bond. The parameters originally introduced to the potential function by Lippincott and Schroeder have been determined from the structural parameters such as 0.. .Odistance 0-H bond distance, H.. .O distance and HOO angle. Thevalidity of harmonic oscillator approximation for calculation of OH stretching frequency from the second derivative of this serniempirical potential function has been investigated.
منابع مشابه
one-dimensional treatment of hydrogen bond part 2
the potential function of lippincott and schroeder for linear hydrogen bond has been re-examined and extended to nonlinear hydrogen bond. the parameters originally introduced to the potential function by lippincott and schroeder have been determined from the structural parameters such as 0.. .odistance 0-h bond distance, h.. .o distance and hoo angle. thevalidity of harmonic oscillator approxim...
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عنوان ژورنال
دوره 7 شماره 2
صفحات -
تاریخ انتشار 1996-06-01
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